Basic information
- CAS
738-99-8- Standard SMILES
O=P(N1CC1)(N1CC1)N1CCN(P(=O)(N2CC2)N2CC2)CC1- InChIKey
RWNNRGBCWXOVAC-UHFFFAOYSA-N- Molecular formula
- C12H24N6O2P2
- Average molar mass
- 346.31 g/mol
- Monoisotopic mass
- 346.14359802
Overview
structure
Names & identifiers
- Preferred name
- 1,4-Bis(bis(1-aziridinyl)phosphinyl)piperazine
- IUPAC
- 1,4-bis[bis(aziridin-1-yl)phosphoryl]piperazine
- English name
- 1,4-Bis(N,N'-diethylene phosphamide)piperazine
- Molecular formula
- C12H24N6O2P2
- Molecular weight
- 346.31
Names & synonyms
DipinDipine738-99-81,4-Bis(N,N'-diethylene phosphamide)piperazineL16KNK08VM1,4-Bis(bis-(1-aziridinyl)phosphinyl)piperazineDTXSID50224219NSC-80096RefChem:906960DTXCID001467101,4-Bis(bis(1-aziridinyl)phosphinyl)piperazine1,4-bis[bis(aziridin-1-yl)phosphoryl]piperazine
Show more names
NSC80096Piperazine, 1,4-bis[bis(1-aziridinyl)phosphinyl]-1,4-PIPERAZINEDIHYLBIS(BIS(1-AZIRIDINYL)-PHOPHINEOXIDE1,4-Piperazinediylbis[bis(1-aziridinyl)phosphine oxide]PHOSPHINEOXIDE,1,4-PIPERAZINEDIYLBIS(BIS(1-AZIRIDINYL)-
UNII-L16KNK08VM1,4-BIS[BIS(1-AZIRIDINYL)PHOSPHORYL]PIPERAZINEENT-50107NSC 80096BRN 0629375AI3-50107Piperazine, 1,4-bis(bis(1-aziridinyl)phosphinyl)-Tetra-ethyleneimidepiperazine-N,N'-diphosphoric acid
Database identifiers
- CAS
738-99-8- PubChem CID
Properties
Computed structural properties
- XLogP
- -1.2
- Topological polar surface area
- 52.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 482
Physicochemical properties
- Melting point
- 187 ° · 187°
- form
- solid
- color
- 6 H6 · Crystals from C6H6
- FDA UNII
- 16 KNK08VM · L16KNK08VM
- Toxicity
- 50 orl-mus: · LD50 orl-mus: 68 mg/kg RPTOAN 36,240,73
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Toxicity
- LD50 orl-mus: 68 mg/kg RPTOAN 36,240,73
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Substances that increase the risk of NEOPLASMS in humans or animals. Both genotoxic chemicals, which affect DNA directly, and nongenotoxic chemicals, which induce neoplasms by other mechanism, are included.
Chemical agents that increase the rate of genetic mutation by interfering with the function of nucleic acids. A clastogen is a specific mutagen that causes breaks in chromosomes.
A class of drugs that differs from other alkylating agents used clinically in that they are monofunctional and thus unable to cross-link cellular macromolecules. Among their common properties are a requirement for metabolic activation to intermediates with antitumor efficacy and the presence in their chemical structures of N-methyl groups, that after metabolism, can covalently modify cellular DNA. The precise mechanisms by which each of these drugs acts to kill tumor cells are not completely understood. (From AMA, Drug Evaluations Annual, 1994, p2026)
Applications
UsesAntineoplastic agent-1 is an alkylating agent and a genotoxic agent that can induce DNA damage. Antineoplastic agent-1 can lead to irreversible damage and progressive death of liver cells due to necroptosis and apoptosis. Antineoplastic agent-1 can cause alkylation damage to hematopoietic cells and stromal cells in the bone marrow. Antineoplastic agent-1 can be used in tumor research[1][2].
Suppliers3 total
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
Related reactions
0 records
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Compound notes
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